Undecenal

Endpoint summary

Description of key information

The test material Undecanal is likely to be non toxic upon repeated exposure.

Key value for chemical safety assessment

Repeated dose toxicity: via oral route - systemic effects

Link to relevant study records

Reference

Endpoint:

short-term repeated dose toxicity: oral

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3

GLP compliance:

not specified

Limit test:

no

Species:

rat

Strain:

not specified

Sex:

male/female

Details on test animals or test system and environmental conditions:

No data

Route of administration:

oral: gavage

Vehicle:

not specified

Details on oral exposure:

No data

Analytical verification of doses or concentrations:

not specified

Details on analytical verification of doses or concentrations:

No data

Duration of treatment / exposure:

28 days

Frequency of treatment:

No data

Remarks:

Doses / Concentrations:
No data
Basis:

No. of animals per sex per dose:

No data

Control animals:

not specified

Details on study design:

No data

Positive control:

No data

Observations and examinations performed and frequency:

No data

Sacrifice and pathology:

No data

Other examinations:

No data

Statistics:

No data

Clinical signs:

not specified

Mortality:

not specified

Body weight and weight changes:

not specified

Food consumption and compound intake (if feeding study):

not specified

Food efficiency:

not specified

Water consumption and compound intake (if drinking water study):

not specified

Ophthalmological findings:

not specified

Haematological findings:

not specified

Clinical biochemistry findings:

not specified

Urinalysis findings:

not specified

Behaviour (functional findings):

not specified

Organ weight findings including organ / body weight ratios:

not specified

Gross pathological findings:

not specified

Histopathological findings: non-neoplastic:

not specified

Histopathological findings: neoplastic:

not specified

Details on results:

No data

Dose descriptor:

NOAEL

Effect level:

680 mg/kg bw/day (actual dose received)

Based on:

test mat.

Sex:

male/female

Basis for effect level:

food consumption and compound intake

Critical effects observed:

not specified

The prediction was based on dataset comprised from the following descriptors: NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((("a" or "b" or "c" or "d" )  and ("e" and ( not "f") )  )  and ("g" and ( not "h") )  )  and "i" )  and ("j" and "k" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aldehydes (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Alpha,beta unsaturated aldehyde by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Allyl AND Alpha,beta unsaturated aldehyde AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl, olefinic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Michael addition AND Michael addition >> Polarised Alkenes AND Michael addition >> Polarised Alkenes >> Polarised alkene - aldehydes AND Schiff Base Formers AND Schiff Base Formers >> Direct Acting Schiff Base Formers AND Schiff Base Formers >> Direct Acting Schiff Base Formers >> Mono-carbonyls by Protein binding by OECD

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR Acylation >> Direct Acylation Involving a Leaving group >> Acyl halides (including benzyl and carbamoyl deriv.) OR Acylation >> Direct Acylation Involving a Leaving group >> Anhydrides OR Acylation >> Direct Acylation Involving a Leaving group >> Azlactone OR Acylation >> Direct Acylation Involving a Leaving group >> Sulphonyl halides OR Acylation >> Isocyanates and Related Chemicals OR Acylation >> Isocyanates and Related Chemicals >> Isocyanates OR Acylation >> Isocyanates and Related Chemicals >> Thiocyanates-Acylation OR Acylation >> Ring Opening Acylation OR Acylation >> Ring Opening Acylation >> alpha-Lactams OR Michael addition >> Acid imides OR Michael addition >> Acid imides >> Acid imides-MA OR Michael addition >> Polarised Alkenes >> Polarised alkene - amides OR Michael addition >> Polarised Alkenes >> Polarised alkene - cyano OR Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR Michael addition >> Polarised Alkenes >> Polarised alkene - ketones OR Michael addition >> Polarised Alkenes >> Polarised alkene - nitro OR Michael addition >> Polarised Alkenes >> Polarised alkene - pyridines OR Michael addition >> Polarised Alkynes OR Michael addition >> Polarised Alkynes >> Polarised alkyne - aldehyde OR Michael addition >> Polarised Alkynes >> Polarised alkyne - pyridine OR Michael addition >> Quinones and Quinone-type Chemicals OR Michael addition >> Quinones and Quinone-type Chemicals >> Benzoquinones OR Michael addition >> Quinones and Quinone-type Chemicals >> Pyranones (and related nitrogen chemicals) OR Michael addition >> Quinones and Quinone-type Chemicals >> Quinone-diimine OR Michael addition >> Quinones and Quinone-type Chemicals >> Quinone-imine OR Michael addition >> Quinones and Quinone-type Chemicals >> Quinone-methides OR No alert found OR Schiff Base Formers >> Direct Acting Schiff Base Formers >> 1-2-Dicarbonyls OR Schiff Base Formers >> Direct Acting Schiff Base Formers >> 1-3-Dicarbonyls OR Schiff Base Formers >> Direct Acting Schiff Base Formers >> Di-substituted alpha, beta-unsaturated aldehydes OR SN2 OR SN2 >> Episulfonium Ion Formation OR SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkane OR SN2 >> Episulfonium Ion Formation >> Mustards OR SN2 >> Epoxides and Related Chemicals OR SN2 >> Epoxides and Related Chemicals >> Aziridines OR SN2 >> Epoxides and Related Chemicals >> Epoxides OR SN2 >> SN2 reaction at a halo atom OR SN2 >> SN2 reaction at a halo atom >> N-haloimides OR SN2 >> SN2 reaction at a nitrogen atom OR SN2 >> SN2 reaction at a nitrogen atom >> N-Acetoxy-N-acetyl-phenyl OR SN2 >> SN2 reaction at a nitrogen atom >> N-Acyloxy-N-alkoxyamides OR SN2 >> SN2 reaction at a nitrogen atom >> Nitrosoureas (nitrogen) OR SN2 >> SN2 reaction at a sp2 carbon atom OR SN2 >> SN2 reaction at a sp2 carbon atom >> Polarised alkenes with a halogen leaving group OR SN2 >> SN2 reaction at a sp2 carbon atom >> Polarised alkenes with a phosphate leaving group OR SN2 >> SN2 reaction at a sp2 carbon atom >> Polarised alkenes with a tiophosphate leaving group OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >> Disulfides OR SN2 >> SN2 reaction at a sulphur atom >> Isothiazol-3-ones (sulphur) OR SN2 >> SN2 reaction at a sulphur atom >> Thiocyanates-SN2 OR SN2 >> SN2 reaction at a sulphur atom >> Thiols OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl diazo OR SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl halides OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halo ethers OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Haloalkenes (and related cyano, sulfate and sulfonate subs. chem.) OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halobenzyls (and related cyano, sulfate and sulphonate subs. chem.) OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halocarbonyls OR SN2 >> SN2 reaction at sp3 carbon atom >> beta-Halo ethers OR SN2 >> SN2 reaction at sp3 carbon atom >> Nitrosoureas (carbon) OR SN2 >> SN2 reaction at sp3 carbon atom >> Phosphates OR SN2 >> SN2 reaction at sp3 carbon atom >> Phosphonates OR SN2 >> SN2 reaction at sp3 carbon atom >> Sulfonates OR SN2 >> SN2 reaction at sp3 carbon atom >> Thiophosphates OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated halo-benzenes OR SNAr >> Nucleophilic aromatic substitution >> Activated halo-pyridines OR SNAr >> Nucleophilic aromatic substitution >> Halo-pyrimidines OR SNAr >> Nucleophilic aromatic substitution >> Halo-triazines by Protein binding by OECD

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Non binder, non cyclic structure by Estrogen Receptor Binding

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "i"

Similarity boundary:Target: CCCCCCCCC=CC=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is >= 3.27

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of log Kow which is <= 5.24

Conclusions:

The No Observed Adverse Effect Level (NOAEL) for the test compound Undecanal (CAS no 1337-83-3) is found to be 680 mg/Kg bw (actual dose ingested) using male/female rats.

Executive summary:

Repeated dose oral toxicity study was performed for the test compound undecanal using rats by the gavage route of exposure. The No Observed Adverse Effect Level (NOAEL) for the test compound 4-aminoazobenzene-3,4'-disulphonic acid is found to be 680 mg/Kg bw (actual dose ingested) using rats.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

NOAEL

680 mg/kg bw/day

Species:

rat

Quality of whole database:

Data is obtained from K2 prediction model

Repeated dose toxicity: inhalation - systemic effects

Endpoint conclusion

Endpoint conclusion:

no study available

Repeated dose toxicity: inhalation - local effects

Endpoint conclusion

Endpoint conclusion:

no study available

Repeated dose toxicity: dermal - systemic effects

Endpoint conclusion

Endpoint conclusion:

no study available

Repeated dose toxicity: dermal - local effects

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Repeated dose toxicity: Oral

Repeated dose oral toxicity study was performed for the test compound undecanal (CAS no 1337-83-3) using rats by the gavage route of exposure.

The No Observed Adverse Effect Level (NOAEL) for the test compound 4-aminoazobenzene-3,4'-disulphonic acid is found to be 680 mg/Kg bw (actual dose ingested) using rats.

 

In a sub-acute repeated dose oral toxicity study by Sustainability Support Services (Europe) AB (2015), male and female Wistar rats were treated with Aldehyde C-11 Undecylenic (RA CAS no 112-45-8) in the concentration of 250, 500 or 1000 mg/kg body weight/day by gavage. No effects were observed on survival and clinical sign of treated rats. Statistically significant variations in the number of rears were observed during pre-treatment in male at week 2 and female at week 3, but the observed effect were not regarded to be treatment-related. No statistically significant changes in bodyweight and weight gain, food consumption or ophthalmological changes were observed in treated rats. Hematologic results showed a statistically significant decrease in MCV and MCH in males, and in RBC, hemoglobin, hematocrit, prothrombin time (PT) in female at 1000 mg/kg bw/day in recovery period. However, the observed changes were considered to be of no toxicological significance since changes were observed in only one sex, of a minimal in nature. Statistically significant decrease in pH and urine volume were seen at 250 mg/kg bw/day, as well as a decrease in pH and urine volume and increased in specific gravity at 500 mg/kg bw/day. A decrease in pH at 1000 mg/kg bw/day in male rats were also observed. The altered parameters were reversed to normal level during treatment free recovery period. No gross external and internal gross pathological changes were observed in all treated rats. Focal minimal to multifocal mild mononuclear cell infiltration in lungs and trachea were observed in male and female rats, and diffuse minimal lympho-phagocytosis in thymus of female rats at 1000 mg/kg bw/day. Therefore, NOAEL was considered to be 1000 mg/kg body weight/day when Wistar male and female Rats were treated with Aldehyde C-11 Undecylenic for 28 days.

In a Combined repeated dose repro-devp. Screen (General Foundation Food and Drug Safety Center, 2014), Sprague-Dawley (SD) (Crl: CD (SD), SPF) male and female rats treated with Undecanal (RA CAS no 112-44-7) in the concentration of 0, 100, 300 and 1000 mg/kg/day in corn oil. One female satellite and recovery group is also maintained at 1000 mg/kg/day. No effect on clinical sign and general condition, Body weight and weight gain were observed in treated, satellite and recovery group as compared to control. Significant increase in food consumption of female rats was observed at 300 and 1000 mg/kg/day as compared to control. Significant decrease in APTT level of female rats at 100 and 1000 mg/kg/day in treated group and significant decrease in eosinophil level of female rats in recovery were observed as compared to control. Significant increase in Cl level of male and female rats at 1000 mg/kg/day and decrease in ALT level of female rats at 300 mg/kg/day in treatment group and significant increase in ALT level of female rats in satellite group were observed at 1000 mg/kg/day as compared to control. No significant effect was observed in urine analysis of treated rats as compared to control. Significant increase in hind limb grip strength at 100, 300 and 1000 mg/kg/day, significant increase in ambulation at 15 min in motor activity in treatment and ambulation and rearing at 15 min in motor activity in satellite group were observed in treated female rats as compared to control. Similarly, significant increase in absolute and relative spleen and relative adrenal weight were observed in female rats of satellite group as compared to control. Nodule in epididymis, unilateral kidney, and partial adhesion with diaphragm in liver and alopecia on skin in male rats and diverticulum ileum, dark colored spot on lung, unilateral cyst in ovary, enlargement of spleen and dark colored area in stomach in female rats were observed in 100, 300 and 1000 mg/kg/day dose group as compared to control. All the changes are considered to be non-graded. In addition, Very slight Degeneration/fibrosis of heart , accumulation, foam cell alveolus in lung, fatty change, hepatocyte, periportal liver, deposit, pigment, brown spleen, basophilic tubule in kidney and cellular infiltration in prostate and follicular cyst in ovary of 1000 mg/kg/day treated male and female rats were observed as compared to control. Therefore, NOAEL was considered to be 1000 mg/kg/day for male rats and 300 mg/kg/day for female rats when Sprague-Dawley (SD) (Crl: CD (SD), SPF) male and female rats treated with Undecanal orally by gavage for 42 days.   

In a toxicological study by Oser et al (1965), male and female FDRL rats were fed diet containing 0 or 10.6 mg/kg/daya-ionone (RA CAS no 121-41-3), a concentration that was reported by conducted measurement to provide an average intake of 11.8 mg/kg/day for males and 11.1 mg/kg/day for females for 90 days. No exposure-related effects were observed based on evaluations of body weight, food intake, hematology, blood chemistry, liver and kidney weights and histopathology. Therefore, NOAEL for male FDRL rats was considered to be 11.8 mg/kg/day while NOAEL for female FDRL rats was considered to be 11.1 mg/kg/day when exposed to alpha -ionone.

Based on the weight of evidence data available, the test material Undecanal is likely to be non toxic upon repeated exposure.

Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:
The No Observed Adverse Effect Level (NOAEL) for the test compound 4-aminoazobenzene-3,4'-disulphonic acid is found to be 680 mg/Kg bw (actual dose ingested) using rats.

Justification for classification or non-classification

Based on the weight of evidence data, the test material Undecanal is likely to be non toxic upon repeated exposure and hence can be 'not classified' for toxicity upon repeated exposure.